CID 460640

2-[(4-chlorophenyl)methyl]-1,3-thiazoline

Structural Information

Molecular Formula
C10H10ClNS
SMILES
C1CSC(=N1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H10ClNS/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7H2
InChIKey
QSWUAJVHQRYCPW-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.02225 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.02953 142.8
[M+Na]+ 234.01147 152.5
[M-H]- 210.01497 148.6
[M+NH4]+ 229.05607 163.7
[M+K]+ 249.98541 147.6
[M+H-H2O]+ 194.01951 136.9
[M+HCOO]- 256.02045 157.0
[M+CH3COO]- 270.03610 156.3
[M+Na-2H]- 231.99692 144.8
[M]+ 211.02170 145.0
[M]- 211.02280 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe